Workunit 31589751

name shp2_A24_A06_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2946
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:48:03 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
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38643139 550955 7 May 2026, 10:48:16 UTC 7 May 2026, 10:59:56 UTC Error while computing 167.62 75.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643179 638317 7 May 2026, 11:00:14 UTC 7 May 2026, 23:02:17 UTC Error while computing 208.26 131.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643920 646098 7 May 2026, 23:02:25 UTC 7 May 2026, 23:07:52 UTC Error while computing 250.91 129.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643926 637431 7 May 2026, 23:08:05 UTC 7 May 2026, 23:18:32 UTC Error while computing 273.31 172.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643933 649987 7 May 2026, 23:18:47 UTC 7 May 2026, 23:22:48 UTC Error while computing 159.36 126.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643937 645900 7 May 2026, 23:23:05 UTC 7 May 2026, 23:33:41 UTC Error while computing 163.15 119.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643951 648153 7 May 2026, 23:33:51 UTC 7 May 2026, 23:49:45 UTC Error while computing 494.44 258.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643959 651346 7 May 2026, 23:49:54 UTC 8 May 2026, 5:24:37 UTC Error while computing 121.54 72.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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